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156050-11-2 | Benzothiazole, 2-(cyclopentylthio)-
CAS No: 156050-11-2 Catalog No: AG001OGY MDL No:
Product Description
Catalog Number:
AG001OGY
Chemical Name:
Benzothiazole, 2-(cyclopentylthio)-
CAS Number:
156050-11-2
Molecular Formula:
C12H13NS2
Molecular Weight:
235.3683
IUPAC Name:
2-cyclopentylsulfanyl-1,3-benzothiazole
InChI:
InChI=1S/C12H13NS2/c1-2-6-9(5-1)14-12-13-10-7-3-4-8-11(10)15-12/h3-4,7-9H,1-2,5-6H2
InChI Key:
LHOXSBCOMXSIPO-UHFFFAOYSA-N
SMILES:
C1CCC(C1)Sc1nc2c(s1)cccc2
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.049g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.363g/mol
Monoisotopic Mass:
235.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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